SCHEMBL7704896

SCHEMBL7704896

Nc1nccc2oc(CNC(=O)[C@@H]3CCCN3N(CC(=O)O)[C@@H](C=O)Cc3ccccc3)cc12

nearest known ligand 0.38

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.38
F2 P00734 10/20 0.36
F11 P03951 3/20 0.35
FKBP1A P62942 1/20 0.34
POLB P06746 1/20 0.34
CYP3A4 P08684 1/20 0.33
CYP2C9 P11712 1/20 0.33
PKM P14618 1/20 0.33
CYP2C19 P33261 1/20 0.33
PRSS1 P07477 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.32
AADAT Q8N5Z0 2/20 0.32

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL7702468 0.81 ALDH1A1 (0.41) ALDH1A1F2F11FKBP1APOLB
SCHEMBL6438838 0.77 F2 (0.47) ALDH1A1F2F11POLBCYP3A4
SCHEMBL6438847 0.77 F2 (0.47) ALDH1A1F2F11POLBCYP3A4
SCHEMBL6435595 0.74 F2 (0.41) ALDH1A1F2F11PRSS1
SCHEMBL6435600 0.74 F2 (0.41) ALDH1A1F2F11PRSS1
SCHEMBL6438914 0.73 F2 (0.45) ALDH1A1F2F11CYP3A4CYP2C9
SCHEMBL7702459 0.73 F2 (0.39) ALDH1A1F2F11PRSS1SMN1; SMN2
SCHEMBL6438918 0.73 F2 (0.45) ALDH1A1F2F11CYP3A4CYP2C9
SCHEMBL7703828 0.72 F2 (0.32) F2F11PRSS1
SCHEMBL7703823 0.72 F2 (0.32) F2F11PRSS1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6432955-B1 ANTICOAGULANTS AKZO NOBEL N.V. (NL) 2002-08-13 US disclosed